键角

X射线晶体结构解析表明异构体2b分子中有一个不规则的含磷六元杂环.环内最大键角为127.7°，最小键角为97.9°。

The results from X-ray crystallographic analysis for 2b indicated that it has a six membered phosphorus-containing hetero ring , which bears a 127.7 ° of the largest bond angle and a 97.9 ° of the smallest one .

Mn-O-Mn键角随y增加而减小，表明MnO6八面体发生了Jahn-Teller畸变，而反映A位离子无序度的σ~2随y增加呈现出线性增大趋势。

The bond angle of Mn-O-Mn decreases with increasing y , which indicates the presence of Jahn-Teller effect in MnO_6 octahedron . On the contrary , σ ~ 2 which reflects A-site cation disorder , increases linearly with vacancy level y.

AB2和AB3型分子键角变化的规律

The Rule of Change of Valence Angles for Molecules of AB_2 and AB_3 Types

从反应物到过渡态的振动相关表明：正则振动模式是各自独立的；键角H（1）CC的伸缩振动模式直接与内禀进动（IRC）相连结。

The vibrational correlation from reactant to transition state indicated that the normal modes are independent , and the stretching mode of H C C bond angle is associated with the intrinsic motion ( IRC ) .

基于分子振动理论，得出了光纤玻璃红外光谱特征峰与Si-O-Si键角的本质关联，并推导了键角、分子体积和折射率间的关系表达式；

Thereafter based on molecular vibration theory , the relationship between the characteristic peak of infrared spectrum and the bond angle is obtained , and the relational expression among the bond angle , molecular volume and the refractive index is derived .

定键角自由内旋转链分子模型稀溶液的某些流变和统计性质

Some of Rheological and Statistical Aspects of Freely Rotating Chain Suspensions

如果键角仍然是109。

So if we still have an angle of a109 .

你们觉得键角是多少？

What do you know the bond angle should be ?

键角定义及标示方法

Angle . Inquiring into bond angless definition and its indication

这里的键角是多少？

So , in a settling , what is the bond angle here ?

环键角优化方案

A Method for Optimization of Ring Bond Angles

键角为61.2°。

And the bond angle of 61.2 ° .

并计算了原子的间距和键角。

Atomic distances and angles were calculated .

另外还介绍孤对电子对分子键角的影响。

Effect of lone electron pair on bond angle was also introduced and discussed here .

这个问题很简单，键角是多少？

This is the easiest question all day , what is the bond angle between all of these ?

并根据杂化轨道理论估算了磷玻璃中处于缺陷位置的键角。

According to the orbital hybridization theory , the bond angles at the site of the defect in phosphate glasses are calculated .

共聚单元与配合物配体连接点的位置和键角的不同，影响聚合物的发光波长和发光效率。

In this kind of phosphorescent polymers , the position and angle will affect the light wavelength and light efficiency of the PLED based on them .

键角几率分布出现两个峰值，～57°和～102°，表明液态硅中存在复杂的结构。

The presence of two peaks , ~ 57 ° and ~ 102 °, in bond angle probability distribution indicates a very complicated structure in liquid silicon .

通过两结构模型对径向分布函数非对称展宽、配位数、键角分布和粘度作了讨论。

By using two-structure linear combination model , the asymmetric broadening of RDF , the coordination number , the bond angle distribution and the viscosity of chlorides have also been discussed .

计算结果表明，折合质量的增大，键角的减小等分子结构特征，都将导致能谱结构混沌化程度的增高。

The increase of the reduced masses as well as the decrease of the bond-angles will ital to the increase of the irregular ( chaotic ) extents of responding eigenvalue-spectra of vibrating-energy .

用分子动力学计算机模拟方法研究了LaCl3KCl熔体的结构和输运性质，获得了熔体的偏径向分布函数、配位数、键角分布及均方位移等信息。

A structure model of LaCl_3-KCl melt was calculated with molecular dynamic ( MD ) computer simulation method . The partial radical distribution function , coordination number and bond-angle distributions were obtained .

体系的键角和键长力系数之比增大时，晶化模软化使结构不稳定，导致其升华或熔解。

With the ratio of bond angle force constant and bond length one increasing , the crystallized mode softens and makes the structure unstable , finally led to sublimation or melting of the crystal .

残存应变ε′表征了由链滑移而产生的永久形变，回复应变（ε-ε′）表征了键角变化和链段取向产生的形变。

The residual strain (ε′) characterizes the permanent set caused by chain slippage , and the recovery strain (ε - ε′) characterizes the deformation caused by changes of bond angle and the orientation of chain segment .

文中对一系列三原子分子模型体系的振动能量本征值谱进行了涨落统计分析，探讨了组成原子质量和键角因素对能谱涨落统计特征的影响及规律。

This paper is devoted to statisical analysis for the fluctuations in eigenvalue-spectra of a series of triatomic vibration models , investigating the influences of both the atomic weights and the bond-angles of molecules to the statistical characteristics and regularities of the eigenvalue-spectral fluctuations .

按作为四元组转动的C－C键旋转角的函数计算了正庚烷的构象能。

The conformational energy of n-heptane is calculated as a function of the C-C bond rotation angles with a tetradic rotation .

重叠形成DG和TG后，键长、键角和电荷略有变化。

DG and TG are slightly different in bond distances , bond angles and net charges .

从理论上分析了HMX的结构（键长、键角、二面角）。

The structure of β - HMX , such as bond length , bond angle , dihedral angle , is analyzed theoretically .

MD模拟的结果说明：两个四面体即使它们是同类的，其键长和键角也不尽相同。

The MD simulation results indicate that for any two random Si-O tetrahedra belonging to the same kind , their homologous bond lengths and bond angles are different with each other because of their different microenvironments .

本文还给了MGITC分子中的各个原子键长，键角等空间结构参数；

MGITC structure parameters were given also in the paper including bond lengths and bond angles etc.

晶体结构分析显示环戊二烯-甲萘醌加合物的C4-C14键被它的角甲基空间效应所弱化，热分析（TG-DSC）研究显示在130℃该加合物的逆Diels-Alder反应趋势得到加强。

Experimental results show that C4-C14 bond of cyclopentadiene-menadione adduct is weakened by the steric effect of its angular methyl group through the crystal structural analysis . Consequently , the retro-Diels-Alder tendency of the adduct is enhanced at 130 ℃ through thermal analysis ( TG-DSC ) .